methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate

C16H15ClN2O3 — CID 155001310

IUPACmethyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1C
InChIInChI=1S/C16H15ClN2O3/c1-10-6-12(11-4-3-5-13(17)7-11)8-18-15(10)16(21)19-9-14(20)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyKUZOHJNROWLVMY-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate

methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate (PubChem CID 155001310) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
PubChem CID155001310
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Namemethyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1C
InChIInChI=1S/C16H15ClN2O3/c1-10-6-12(11-4-3-5-13(17)7-11)8-18-15(10)16(21)19-9-14(20)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyKUZOHJNROWLVMY-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 142369403
methyl 4-[3-chloro-5-(3-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 165046778
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 2-[[5-(2-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 24891581
ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 162731487
methyl 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate;bis(methyl 4-(3-hydroxy-5-methylsulfonyloxy-2-pyridinyl)-4-oxobutanoate)
CID 162006009
methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
CID 157422619
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 171514158
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate (CID 155001310) is methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1C.
What is the InChIKey of methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate?
The InChIKey is KUZOHJNROWLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-6-12(11-4-3-5-13(17)7-11)8-18-15(10)16(21)19-9-14(20)22-2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate has a molecular weight of 318.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 155001310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).